![N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide structure](/static/products/3770/377065-30-0.webp)
N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide
TL;DR: N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide (CAS 377065-30-0) is a chemical compound with molecular formula C18H18F3N5O2S and molecular weight 425.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylideneamino]-3-methylbutanamide
Also Known As: N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide
| Molecular Formula | C18H18F3N5O2S |
|---|---|
| Molecular Weight | 425.11 g/mol |
| LogP | 3.6804 |
| Topological Polar Surface Area | 92.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.11334 |
| Heavy Atoms | 29 |
| Complexity | 1107.5143 |
Chemical Identifiers
| CAS Number | 377065-30-0 |
|---|---|
| SMILES | CC(C)CC(=O)NN=C(C)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F |
Product Overview
N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide (CAS 377065-30-0), with molecular formula C18H18F3N5O2S and molecular weight 425.11 g/mol. IUPAC: N-[1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylideneamino]-3-methylbutanamide.
Chemical Property Profile of N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide
Property Insights of N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide
The XLogP value of 3.6804 indicates that N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide. Following Lipinski's Rule of Five, N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide?
The CAS number of N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide is 377065-30-0.
What is the molecular formula of N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide?
The molecular formula of N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide is C18H18F3N5O2S.
What is the molecular weight of N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide?
The molecular weight of N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide is 425.11 g/mol.
Where can I buy N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide?
You can request a quote for N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.